16,17-dimethoxy-5,7-dioxa-12-azapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-1(21),2,4(8),9,13,15,17,19-octaen-14-ol

AlkaPlorer ID: AK131571

Synonym: None

IUPAC Name: 16,17-dimethoxy-5,7-dioxa-12-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-14-ol

Structure

SMILES: COC1=CC=C2C=C3C4=CC5=C(C=C4CNC3=C(O)C2=C1OC)OCO5

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InChI: InChI=1S/C20H17NO5/c1-23-14-4-3-10-5-13-12-7-16-15(25-9-26-16)6-11(12)8-21-18(13)19(22)17(10)20(14)24-2/h3-7,21-22H,8-9H2,1-2H3

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InChIKey: OHXBMJJPRDNBSJ-UHFFFAOYSA-N

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Reference

Argemone alkaloids

PubChem CID: 163048859

LOTUS: LTS0035661

NPASS: NPC69542

COCONUT: CNP0331775

Properties Information

Molecule Weight: 351.3580000000002

TPSA: 69.18

MolLogP: 3.8838000000000017

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information